(2,5-dimethylfuran-3-yl)-(5-methyloxolan-3-yl)methanone

C12H16O3 — CID 114824778

IUPAC(2,5-dimethylfuran-3-yl)-(5-methyloxolan-3-yl)methanone
SMILESCc1cc(C(=O)C2COC(C)C2)c(C)o1
InChIInChI=1S/C12H16O3/c1-7-4-10(6-14-7)12(13)11-5-8(2)15-9(11)3/h5,7,10H,4,6H2,1-3H3
InChIKeyDVBVVVMTPLTDPH-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.50
Rot. Bonds2

About (2,5-dimethylfuran-3-yl)-(5-methyloxolan-3-yl)methanone

(2,5-dimethylfuran-3-yl)-(5-methyloxolan-3-yl)methanone (PubChem CID 114824778) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is (2,5-dimethylfuran-3-yl)-(5-methyloxolan-3-yl)methanone.

Molecular Properties

Compound Name(2,5-dimethylfuran-3-yl)-(5-methyloxolan-3-yl)methanone
PubChem CID114824778
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name(2,5-dimethylfuran-3-yl)-(5-methyloxolan-3-yl)methanone
SMILESCc1cc(C(=O)C2COC(C)C2)c(C)o1
InChIInChI=1S/C12H16O3/c1-7-4-10(6-14-7)12(13)11-5-8(2)15-9(11)3/h5,7,10H,4,6H2,1-3H3
InChIKeyDVBVVVMTPLTDPH-UHFFFAOYSA-N
XLogP2.50
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2,5-dimethylfuran-3-yl)-(3-methylcyclohexyl)methanone
CID 114976383
(4-methoxy-2-methylphenyl)-(5-methyloxolan-3-yl)methanone
CID 114965478
(2-chloro-4,5-difluorophenyl)-(5-methyloxolan-3-yl)methanone
CID 107475700
(2,5-dimethylfuran-3-yl)-(2,5-dimethylmorpholin-4-yl)methanone
CID 128927247
(2-bromo-4-methoxyphenyl)-(5-methyloxolan-3-yl)methanone
CID 114824771
N-[(3S,7S,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-2,5-dimethylfuran-3-carboxamide
CID 155502422
(3,4-difluorophenyl)-(5-methyloxolan-3-yl)methanone
CID 114824695
(2,5-dimethylfuran-3-yl)-(oxan-2-yl)methanone
CID 62214951
(5-methyloxolan-3-yl)-(4-propoxyphenyl)methanone
CID 114971025
(3S,5S)-5-methyloxolane-3-carboxylic acid
CID 97300455
(2,5-dimethylfuran-3-yl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanone
CID 115788424
1,2-dihydroacenaphthylen-5-yl-(5-methyloxolan-3-yl)methanone
CID 114939130

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylfuran-3-yl)-(5-methyloxolan-3-yl)methanone?
The IUPAC name of (2,5-dimethylfuran-3-yl)-(5-methyloxolan-3-yl)methanone (CID 114824778) is (2,5-dimethylfuran-3-yl)-(5-methyloxolan-3-yl)methanone.
What is the SMILES notation for (2,5-dimethylfuran-3-yl)-(5-methyloxolan-3-yl)methanone?
The canonical SMILES for (2,5-dimethylfuran-3-yl)-(5-methyloxolan-3-yl)methanone is Cc1cc(C(=O)C2COC(C)C2)c(C)o1.
What is the InChIKey of (2,5-dimethylfuran-3-yl)-(5-methyloxolan-3-yl)methanone?
The InChIKey is DVBVVVMTPLTDPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3/c1-7-4-10(6-14-7)12(13)11-5-8(2)15-9(11)3/h5,7,10H,4,6H2,1-3H3.
What are the key properties of (2,5-dimethylfuran-3-yl)-(5-methyloxolan-3-yl)methanone?
(2,5-dimethylfuran-3-yl)-(5-methyloxolan-3-yl)methanone has a molecular weight of 208.26 g/mol, XLogP of 2.50, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylfuran-3-yl)-(5-methyloxolan-3-yl)methanone is sourced from PubChem (CID 114824778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).